Vitas-M small molecule compound
5-{[3-(cyclohexylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
Catalog ID
STK470748
SMILES OC(=O)CC(CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC(C2)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H32N2O4S MW 420.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N2O4S/c1-13-8-9-16-17(10-13)29-22(24-18(25)11-14(2)12-19(26)27)20(16)21(28)23-15-6-4-3-5-7-15/h13-15H,3-12H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)InChIKey
SXYOMHWURAZQGK-UHFFFAOYSA-NSynonyms
5((3(cyclohexylcarbamoyl)6methyl4567tetrahydro1benzothiophen2yl)amino)3methyl5oxopentanoicacid
CC1CCC2=C(C1)SC(=C2C(=O)NC3CCCCC3)NC(=O)CC(C)CC(=O)O
InChI=1SC22H32N2O4Sc113891617(1013)2922(2418(25)1114(2)1219(26)27)20(16)21(28)23156435715h1315H312H212H3(H2328)(H2425)(H2627)
MFCD06021592
ZINC000017092414
ZINC000017092417
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